Dataset

Sinomenine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA00285 contains the MS2 mass spectrum of Sinomenine with the InChIkey INYYVPJSBIVGPH-QHRIQVFBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
SMILES COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O
InChI Key INYYVPJSBIVGPH-QHRIQVFBSA-N
Molecular Formula C19H23NO4
Exact Mass 329.399 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA00285
Version
Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16892 drugbank
    CHEBI:9163 chebi
    CHEMBL248095 chembl
    29474810 surechembl
    363812 surechembl
    171129258 pubchem
    5459308 pubchem
    63LT81K70N fdasrs
    PD000544 probes_and_drugs
    143751 brenda
    DTXSID00871595 comptox
    NCT05764304 clinicaltrials
    Molport-002-507-299 molport
    50241298 bindingdb
    The data in this table is sourced from UniChem at EBI.